Untitled Project

Model 01

Oligo-State: Homo-dimer
(matching prediction)

GMQE: 0.81

QMEANDisCo Global:: 0.80 ± 0.05

Ligands

2 x FE2, 1 x XPE

2 x FE (II) ION

FE2.1:	4 residues within 4Å: Chain A: H.34, D.36, H.80, D.185 3 PLIP interactions: 3 interactions with chain A Metal complexes: A:H.34, A:H.80, A:D.185
FE2.5:	4 residues within 4Å: Chain B: H.34, D.36, H.80, D.185 3 PLIP interactions: 3 interactions with chain B Metal complexes: B:H.34, B:H.80, B:D.185

1 x 3,6,9,12,15,18,21,24,27-NONAOXANONACOSANE-1,29-DIOL

XPE.3:

5 residues within 4Å:

No protein-ligand interaction detected (PLIP)

QMEANDisCo Local

QMEAN Z-Scores

Template

3ovp.1.A Ribulose-phosphate 3-epimerase
Crystal Structure of hRPE

Seq Identity: 55.75%
Coverage

Biounit Oligo State	Homo-dimer
QSQE	0.78
Method	X-ray, 1.70 Å
Seq Similarity	0.46
Coverage	0.95
Range	3-234

Ligand	Added to Model	Description
FE2	✓	FE (II) ION
FE2	✓	FE (II) ION
XPE	✓	3,6,9,12,15,18,21,24,27-NONAOXANONACOSANE-1,29-DIOL
XPE	✕ - Binding site not conserved.	3,6,9,12,15,18,21,24,27-NONAOXANONACOSANE-1,29-DIOL
XPE	✕ - Binding site not conserved.	3,6,9,12,15,18,21,24,27-NONAOXANONACOSANE-1,29-DIOL
XPE	✕ - Binding site not conserved.	3,6,9,12,15,18,21,24,27-NONAOXANONACOSANE-1,29-DIOL
XPE	✕ - Binding site not conserved.	3,6,9,12,15,18,21,24,27-NONAOXANONACOSANE-1,29-DIOL
XPE	✕ - Binding site not conserved.	3,6,9,12,15,18,21,24,27-NONAOXANONACOSANE-1,29-DIOL

Model-Template Alignment

Model 02

Oligo-State: Homo-dimer
(matching prediction)

GMQE: 0.81

QMEANDisCo Global:: 0.80 ± 0.05

Ligands

2 x FE2

2 x FE (II) ION

FE2.1:	4 residues within 4Å: Chain A: H.34, D.36, H.80, D.185 3 PLIP interactions: 3 interactions with chain A Metal complexes: A:H.34, A:H.80, A:D.185
FE2.7:	4 residues within 4Å: Chain B: H.34, D.36, H.80, D.185 3 PLIP interactions: 3 interactions with chain B Metal complexes: B:H.34, B:H.80, B:D.185

QMEANDisCo Local

QMEAN Z-Scores

Template

3ovq.1.A Ribulose-phosphate 3-epimerase
Crystal Structure of hRPE and D-Ribulose-5-Phospate Complex

Seq Identity: 55.75%
Coverage

Biounit Oligo State	Homo-dimer
QSQE	0.78
Method	X-ray, 2.00 Å
Seq Similarity	0.46
Coverage	0.95
Range	3-232

Ligand	Added to Model	Description
FE2	✓	FE (II) ION
FE2	✓	FE (II) ION
5RP	✕ - Binding site not conserved.	RIBULOSE-5-PHOSPHATE
5RP	✕ - Binding site not conserved.	RIBULOSE-5-PHOSPHATE
XPE	✕ - Binding site not conserved.	3,6,9,12,15,18,21,24,27-NONAOXANONACOSANE-1,29-DIOL
XPE	✕ - Binding site not conserved.	3,6,9,12,15,18,21,24,27-NONAOXANONACOSANE-1,29-DIOL
XPE	✕ - Binding site not conserved.	3,6,9,12,15,18,21,24,27-NONAOXANONACOSANE-1,29-DIOL
XPE	✕ - Binding site not conserved.	3,6,9,12,15,18,21,24,27-NONAOXANONACOSANE-1,29-DIOL
XPE	✕ - Binding site not conserved.	3,6,9,12,15,18,21,24,27-NONAOXANONACOSANE-1,29-DIOL
XPE	✕ - Binding site not conserved.	3,6,9,12,15,18,21,24,27-NONAOXANONACOSANE-1,29-DIOL
XPE	✕ - Binding site not conserved.	3,6,9,12,15,18,21,24,27-NONAOXANONACOSANE-1,29-DIOL

Model-Template Alignment

Model 03

Oligo-State: Homo-dimer
(matching prediction)

GMQE: 0.80

QMEANDisCo Global:: 0.79 ± 0.05

Ligands

2 x FE2, 1 x XPE

2 x FE (II) ION

FE2.1:	4 residues within 4Å: Chain A: H.34, D.36, H.80, D.185 3 PLIP interactions: 3 interactions with chain A Metal complexes: A:H.34, A:H.80, A:D.185
FE2.5:	4 residues within 4Å: Chain B: H.34, D.36, H.80, D.185 3 PLIP interactions: 3 interactions with chain B Metal complexes: B:H.34, B:H.80, B:D.185

1 x 3,6,9,12,15,18,21,24,27-NONAOXANONACOSANE-1,29-DIOL

XPE.3:

5 residues within 4Å:

No protein-ligand interaction detected (PLIP)

QMEANDisCo Local

QMEAN Z-Scores

Template

3ovp.1.A Ribulose-phosphate 3-epimerase
Crystal Structure of hRPE

Seq Identity: 57.27%
Coverage

Biounit Oligo State	Homo-dimer
QSQE	0.77
Method	X-ray, 1.70 Å
Seq Similarity	0.47
Coverage	0.92
Range	6-234

Ligand	Added to Model	Description
FE2	✓	FE (II) ION
FE2	✓	FE (II) ION
XPE	✓	3,6,9,12,15,18,21,24,27-NONAOXANONACOSANE-1,29-DIOL
XPE	✕ - Binding site not conserved.	3,6,9,12,15,18,21,24,27-NONAOXANONACOSANE-1,29-DIOL
XPE	✕ - Binding site not conserved.	3,6,9,12,15,18,21,24,27-NONAOXANONACOSANE-1,29-DIOL
XPE	✕ - Binding site not conserved.	3,6,9,12,15,18,21,24,27-NONAOXANONACOSANE-1,29-DIOL
XPE	✕ - Binding site not conserved.	3,6,9,12,15,18,21,24,27-NONAOXANONACOSANE-1,29-DIOL
XPE	✕ - Binding site not conserved.	3,6,9,12,15,18,21,24,27-NONAOXANONACOSANE-1,29-DIOL

Model-Template Alignment

Untitled Project

Created: May 8, 2024, 11:09 a.m. at 11:09

Background

Resolution